General Information of the Compound
| Compound ID |
CP0132716
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| Compound Name |
US9233968, 7
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| Structure |
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| Formula |
C22H13ClF3N5O
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| Molecular Weight |
455.827
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)C#Cc2ccc3nccn3n2)ccc1Cl
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| InChI |
InChI=1S/C22H13ClF3N5O/c23-19-9-7-17(13-18(19)22(24,25)26)29-21(32)28-15-4-1-14(2-5-15)3-6-16-8-10-20-27-11-12-31(20)30-16/h1-2,4-5,7-13H,(H2,28,29,32)
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| InChIKey |
OATYAONUQKTAFC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound